2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid

C12H17NO3 — CID 107003583

IUPAC2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(C2CC2(C)C)oc1C(=O)O
InChIInChI=1S/C12H17NO3/c1-4-5-8-9(11(14)15)16-10(13-8)7-6-12(7,2)3/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyWYDASMUVNIFIDS-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.84
Rot. Bonds4

About 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid

2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid (PubChem CID 107003583) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid
PubChem CID107003583
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid
SMILESCCCc1nc(C2CC2(C)C)oc1C(=O)O
InChIInChI=1S/C12H17NO3/c1-4-5-8-9(11(14)15)16-10(13-8)7-6-12(7,2)3/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyWYDASMUVNIFIDS-UHFFFAOYSA-N
XLogP2.84
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid (CID 107003583) is 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid is CCCc1nc(C2CC2(C)C)oc1C(=O)O.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is WYDASMUVNIFIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-5-8-9(11(14)15)16-10(13-8)7-6-12(7,2)3/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid?
2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-4-propyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 107003583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).